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  1. Third-Parties
  2. MatprojStructure
  3. mp-774458

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-774458
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'V', 'P', 'O']
  • Chemical System: Li-Mn-O-P-V
  • Density: 2.8706743966325132
  • Atomic Density: 0.08167666305221938
  • Unit Cell Volume: 1077.4191392189693
  • Molar Volume: 7.373147402153035
  • Full Formula: Li8 Mn2 V6 P16 O56
  • Reduced Formula: Li4MnV3(P2O7)4
  • Formula Anonymous: AB3C4D8E28
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -688.934985
  • Final energy per atom: -7.828806647727273
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.